1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine

C17H26ClFN2 — CID 103040217

IUPAC1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1ccc(F)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C17H26ClFN2/c1-3-17(2,21-9-5-4-6-10-21)16(20)12-13-7-8-15(19)14(18)11-13/h7-8,11,16H,3-6,9-10,12,20H2,1-2H3
InChIKeyLOWQCPWRGAUWBS-UHFFFAOYSA-N
MW312.86 g/mol
LogP4.00
Rot. Bonds5

About 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine

1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine (PubChem CID 103040217) has the molecular formula C17H26ClFN2 and a molecular weight of 312.86 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
PubChem CID103040217
Molecular FormulaC17H26ClFN2
Molecular Weight312.86 g/mol
Exact Mass312.18
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
SMILESCCC(C)(C(N)Cc1ccc(F)c(Cl)c1)N1CCCCC1
InChIInChI=1S/C17H26ClFN2/c1-3-17(2,21-9-5-4-6-10-21)16(20)12-13-7-8-15(19)14(18)11-13/h7-8,11,16H,3-6,9-10,12,20H2,1-2H3
InChIKeyLOWQCPWRGAUWBS-UHFFFAOYSA-N
XLogP4.00
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.86
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylbutan-2-yl]hydrazine
CID 103043966
3-(azepan-1-yl)-1-(3-chloro-4-fluorophenyl)-3-methylbutan-2-ol
CID 103039636
1-(3-chloro-4-fluorophenyl)-3-methyl-3-pyrrolidin-1-ylbutan-2-ol
CID 103039633
1-(3-chloro-2-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine
CID 102857722
1-(3-chloro-4-fluorophenyl)-3-ethyl-3-pyrrolidin-1-ylpentan-2-ol
CID 103039644
3-(azepan-1-yl)-1-(4-chlorophenyl)-3-methylbutan-2-amine
CID 79051085
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 103040194
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-one
CID 103039428
1-(2,5-difluorophenyl)-2-methyl-2-piperidin-1-ylbutan-1-amine
CID 79065070
1-(3-chloro-4-fluorophenyl)-3-N,3-N,3-triethylpentane-2,3-diamine
CID 103040222
1-(2-chloro-5-fluorophenyl)-2-methyl-2-pyrrolidin-1-ylbutan-1-amine
CID 105395170
1-(3-chloro-2-fluorophenyl)-3-methyl-3-morpholin-4-ylpentan-2-amine
CID 102857723

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine (CID 103040217) is 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine is CCC(C)(C(N)Cc1ccc(F)c(Cl)c1)N1CCCCC1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine?
The InChIKey is LOWQCPWRGAUWBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClFN2/c1-3-17(2,21-9-5-4-6-10-21)16(20)12-13-7-8-15(19)14(18)11-13/h7-8,11,16H,3-6,9-10,12,20H2,1-2H3.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine?
1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine has a molecular weight of 312.86 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-methyl-3-piperidin-1-ylpentan-2-amine is sourced from PubChem (CID 103040217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).